6-(1,3-thiazol-2-ylmethylamino)pyrazine-2-carboxylic acid

C9H8N4O2S — CID 66451239

IUPAC6-(1,3-thiazol-2-ylmethylamino)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cncc(NCc2nccs2)n1
InChIInChI=1S/C9H8N4O2S/c14-9(15)6-3-10-4-7(13-6)12-5-8-11-1-2-16-8/h1-4H,5H2,(H,12,13)(H,14,15)
InChIKeyBACHMRDCWDTDBD-UHFFFAOYSA-N
MW236.26 g/mol
LogP1.24
Rot. Bonds4

About 6-(1,3-thiazol-2-ylmethylamino)pyrazine-2-carboxylic acid

6-(1,3-thiazol-2-ylmethylamino)pyrazine-2-carboxylic acid (PubChem CID 66451239) has the molecular formula C9H8N4O2S and a molecular weight of 236.26 g/mol. Its IUPAC name is 6-(1,3-thiazol-2-ylmethylamino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-(1,3-thiazol-2-ylmethylamino)pyrazine-2-carboxylic acid
PubChem CID66451239
Molecular FormulaC9H8N4O2S
Molecular Weight236.26 g/mol
Exact Mass236.04
IUPAC Name6-(1,3-thiazol-2-ylmethylamino)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cncc(NCc2nccs2)n1
InChIInChI=1S/C9H8N4O2S/c14-9(15)6-3-10-4-7(13-6)12-5-8-11-1-2-16-8/h1-4H,5H2,(H,12,13)(H,14,15)
InChIKeyBACHMRDCWDTDBD-UHFFFAOYSA-N
XLogP1.24
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-thiazol-2-ylmethylamino)pyrazine-2-carboxylic acid?
The IUPAC name of 6-(1,3-thiazol-2-ylmethylamino)pyrazine-2-carboxylic acid (CID 66451239) is 6-(1,3-thiazol-2-ylmethylamino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-(1,3-thiazol-2-ylmethylamino)pyrazine-2-carboxylic acid?
The canonical SMILES for 6-(1,3-thiazol-2-ylmethylamino)pyrazine-2-carboxylic acid is O=C(O)c1cncc(NCc2nccs2)n1.
What is the InChIKey of 6-(1,3-thiazol-2-ylmethylamino)pyrazine-2-carboxylic acid?
The InChIKey is BACHMRDCWDTDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2S/c14-9(15)6-3-10-4-7(13-6)12-5-8-11-1-2-16-8/h1-4H,5H2,(H,12,13)(H,14,15).
What are the key properties of 6-(1,3-thiazol-2-ylmethylamino)pyrazine-2-carboxylic acid?
6-(1,3-thiazol-2-ylmethylamino)pyrazine-2-carboxylic acid has a molecular weight of 236.26 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-thiazol-2-ylmethylamino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 66451239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).